N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide

C14H6ClF3N2O — CID 65098727

IUPACN-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H6ClF3N2O/c15-8-2-1-7(6-19)12(3-8)20-14(21)13-10(17)4-9(16)5-11(13)18/h1-5H,(H,20,21)
InChIKeyPATJKOHFSJAKTE-UHFFFAOYSA-N
MW310.66 g/mol
LogP3.88
Rot. Bonds2

About N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide

N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide (PubChem CID 65098727) has the molecular formula C14H6ClF3N2O and a molecular weight of 310.66 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide
PubChem CID65098727
Molecular FormulaC14H6ClF3N2O
Molecular Weight310.66 g/mol
Exact Mass310.01
IUPAC NameN-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H6ClF3N2O/c15-8-2-1-7(6-19)12(3-8)20-14(21)13-10(17)4-9(16)5-11(13)18/h1-5H,(H,20,21)
InChIKeyPATJKOHFSJAKTE-UHFFFAOYSA-N
XLogP3.88
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.66
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide
CID 60628744
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 60628736
3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide
CID 64919189
N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
1-(5-chloro-2-cyanophenyl)-3-(2-fluorophenyl)urea
CID 64918546
3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 107938866
2-chloro-N-(5-chloro-2-cyanophenyl)-5-hydroxybenzamide
CID 106501019
5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide
CID 60628665
2-chloro-N-(5-chloro-2-cyanophenyl)furan-3-carboxamide
CID 106684843
2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 106861258
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 7764075
N-(5-chloro-2-cyanophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105386639

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide (CID 65098727) is N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide is N#Cc1ccc(Cl)cc1NC(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide?
The InChIKey is PATJKOHFSJAKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF3N2O/c15-8-2-1-7(6-19)12(3-8)20-14(21)13-10(17)4-9(16)5-11(13)18/h1-5H,(H,20,21).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide?
N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide has a molecular weight of 310.66 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide is sourced from PubChem (CID 65098727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).